HRID2320332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID31404

Butylated hydroxytoluene

C15H24O

HCID94551

Cyclopropanecarbonyl chloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-

C8H9Cl3O

HCID13507601

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C)CC(OC(=O)C2C(C=C(Cl)Cl)C2(C)C)C1

HCID178425737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-022e97de1ff74e4fab702b2d7a97d3ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][C:2]1=[C:6]([CH3:7])[CH2:5][CH:4]([OH:8])[CH2:3]1.[CH3:31][C:32]1([CH3:42])[CH:33]([C:39](=[O:40])[Cl:41])[CH:34]1[CH:35]=[C:36]([Cl:37])[Cl:38].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:9][c:10]1[cH:11][c:12]([C:13]([CH3:14])([CH3:15])[CH3:16])[c:17]([OH:18])[c:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24]1.[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[CH3:1][C:2]1=[C:6]([CH3:7])[CH2:5][CH:4]([O:8][C:39]([CH:33]2[C:32]([CH3:31])([CH3:42])[CH:34]2[CH:35]=[C:36]([Cl:37])[Cl:38])=[O:40])[CH2:3]1